SCHEMBL12734329

SCHEMBL12734329

CCCCCc1ccc(C2CCC(/C=C/c3ccc(-c4ccc(CCC)cc4)c(F)c3F)CC2)c(F)c1

nearest known ligand 0.37

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ RARB P10826 4/20 0.37
▸ SPHK1 Q9NYA1 8/20 0.33
▸ RARA P10276 1/20 0.33
▸ RARG P13631 1/20 0.33
▸ MPL P40238 3/20 0.31
▸ FFAR4 Q5NUL3 1/20 0.31
▸ SPHK2 Q9NRA0 2/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL12716644 0.97 RARB (0.34) RARBMPLFFAR4
SCHEMBL12739280 0.93 RARB (0.37) RARBSPHK1RARARARGMPL
SCHEMBL12734323 0.92 RARB (0.32) RARBMPL
SCHEMBL12716636 0.92 MPL (0.30) MPL
SCHEMBL12734321 0.92 — —
SCHEMBL12739277 0.90 RARB (0.34) RARBMPLFFAR4
SCHEMBL12734330 0.89 HTR2A (0.38) RARBSPHK1RARARARGFFAR4
SCHEMBL12716642 0.89 FFAR4 (0.30) MPLFFAR4
SCHEMBL12734334 0.89 FFAR4 (0.35) RARBSPHK1RARARARGFFAR4
SCHEMBL12739156 0.87 RARB (0.31) RARBSPHK1FFAR4

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8394294-B2 Four-ring liquid crystal compound having lateral fluorine, liquid crystal composition and liquid crystal display device JNC CORPORATION (JP) 2013-03-12 — — US disclosed
US-20110090450-A1 FOUR-RING LIQUID CRYSTAL COMPOUND HAVING LATERAL FLUORINE, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC CORPORATION (JP) 2011-04-21 — — US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20110090450-A1 FOUR-RING LIQUID CRYSTAL COMPOUND HAVING LATERAL FLUORINE, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE LEF1, LAS1L, EFHD2 RARB 2705/4885SPHK1 1395/4885RARA 2089/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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